CID 112623

63149-38-2

Structural Information

Molecular Formula
C26H30N4O2
SMILES
CCOC(=O)N1CCN(CC1)C2=C(CCC2=CNC3=CC=CC=C3)C=NC4=CC=CC=C4
InChI
InChI=1S/C26H30N4O2/c1-2-32-26(31)30-17-15-29(16-18-30)25-21(19-27-23-9-5-3-6-10-23)13-14-22(25)20-28-24-11-7-4-8-12-24/h3-12,19-20,27H,2,13-18H2,1H3
InChIKey
LJJCVHFNCVEXHX-UHFFFAOYSA-N
Compound name
ethyl 4-[5-(anilinomethylidene)-2-(phenyliminomethyl)cyclopenten-1-yl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

430.23688 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.24416 209.0
[M+Na]+ 453.22610 220.0
[M+NH4]+ 448.27070 214.9
[M+K]+ 469.20004 213.1
[M-H]- 429.22960 216.1
[M+Na-2H]- 451.21155 217.1
[M]+ 430.23633 212.2
[M]- 430.23743 212.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe